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Compound Detail

CHEMBL3318367

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Clc1ccc(-n2ccnc2)c(Cl)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3318367
Phase Preclinical
Structure Type MOL
InChI Key MUSVOFHUICVCCC-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

213.1
MW (Da)
3.18
ALogP
2
HBA
0
HBD
17.8
PSA (Ų)
0.71
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C9H6Cl2N2
MW 213.07
Aromatic Rings 2
Heavy Atoms 13
NP-Likeness -2.49

Literature References

PubMed DOI Target Context # Activities
25036789 10.1016/j.ejmech.2014.06.078 Indoleamine 2,3-dioxygenase 1 1
25036789 10.1016/j.ejmech.2014.06.078 No relevant target 1

Data from ChEMBL 36 via Core Engine